Molecule card · MolClass #47532
843058
843058: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 843058Mitochondrial Fusion · compound_name
- MolClass ID
- 47532
- InChIKey
- RXJSYYBGXMOGCK-UHFFFAOYSA-N
- Canonical SMILES
- OCC24(COC(c1ccccc1)N4(C(OC2)c3ccccc3))
- Standard InChI
- InChI=1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2
- Stored Murcko scaffold
- O1CC2N(C1c3ccccc3)C(OC2)c4ccccc4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.93 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 297.349 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.485
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 843058